UCSF

ZINC45688976

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 4.21 10.17 -100.97 3 3 2 24 287.536 13
Hi High (pH 8-9.5) 4.21 7.69 -35.46 2 3 1 23 286.528 13

Activity (Go SEA)

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