UCSF

ZINC37000012

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 1.02 5.44 -102.8 4 4 2 50 223.32 5
Hi High (pH 8-9.5) 1.02 4 -45 3 4 1 46 222.312 5

Activity (Go SEA)

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