UCSF

ZINC36792080

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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) 4.01 9.32 -94.31 3 2 2 21 242.451 7
Hi High (pH 8-9.5) 4.01 8.58 -31.49 2 2 1 16 241.443 7

Activity (Go SEA)

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