UCSF

ZINC33651674

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2009 36 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) 8.64 17.46 -28.55 2 5 1 57 525.5 8
Mid Mid (pH 6-8) 8.64 17.16 -17.2 1 5 0 56 524.492 8
Mid Mid (pH 6-8) 8.64 17.68 -46.29 2 5 1 60 525.5 8
Lo Low (pH 4.5-6) 8.64 17.98 -97.81 3 5 2 61 526.508 8

Activity (Go SEA)

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