UCSF

ZINC36987849

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 0.51 2.95 -51.11 4 6 1 84 289.359 5
Hi High (pH 8-9.5) 0.51 2.51 -12.61 3 6 0 82 288.351 5

Activity (Go SEA)

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