UCSF

ZINC44625440

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 16 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) -2.59 -0.84 -58.24 5 7 0 131 231.252 6
Hi High (pH 8-9.5) -2.59 -1.18 -51.23 4 7 -1 130 230.244 6

Activity (Go SEA)

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