UCSF

ZINC36672509

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 1.35 5.1 -108.31 4 4 2 51 240.347 7
Hi High (pH 8-9.5) 1.35 2.71 -39.36 3 4 1 49 239.339 7

Activity (Go SEA)

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