UCSF

ZINC09461269

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 38 No

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) 4.06 10.01 -60.59 1 7 -1 103 505.55 8
Mid Mid (pH 6-8) 4.51 8.95 -30.21 2 7 0 100 506.558 7
Mid Mid (pH 6-8) 3.48 9.97 -25.1 1 7 0 97 506.558 8
Lo Low (pH 4.5-6) 4.51 9.23 -57.62 3 7 1 101 507.566 7
Lo Low (pH 4.5-6) 3.48 10.25 -55.89 2 7 1 98 507.566 8

Activity (Go SEA)

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