UCSF

ZINC36787687

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 13 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) 1.62 6.56 -36.44 1 3 1 31 188.291 6
Hi High (pH 8-9.5) 1.62 4.62 -4.05 0 3 0 30 187.283 6

Activity (Go SEA)

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