UCSF

ZINC09096261

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 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) 2.88 7.8 -52.14 0 8 -1 98 394.407 6
Hi High (pH 8-9.5) 2.87 8.14 -48.67 0 8 -1 93 394.407 6
Mid Mid (pH 6-8) 2.87 8.62 -18.26 1 8 0 95 395.415 6

Activity (Go SEA)

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