UCSF

ZINC24986896

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 29 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.99 6.88 -42.05 4 7 1 91 396.515 3
Hi High (pH 8-9.5) 2.05 3.89 -17.93 3 7 0 94 395.507 3
Hi High (pH 8-9.5) 1.99 6.41 -13.62 3 7 0 90 395.507 3
Hi High (pH 8-9.5) 2.05 3.86 -17.02 3 7 0 94 395.507 3
Hi High (pH 8-9.5) 1.99 6.44 -13.65 3 7 0 90 395.507 3
Mid Mid (pH 6-8) 2.05 5.04 -57.2 4 7 1 98 396.515 3
Mid Mid (pH 6-8) 1.99 7.59 -52.08 4 7 1 95 396.515 3
Mid Mid (pH 6-8) 2.05 5.03 -56.59 4 7 1 98 396.515 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )