UCSF

ZINC36870925

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 15 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) 2.17 3.95 -45.88 4 3 1 56 243.117 2
Hi High (pH 8-9.5) 2.17 3.83 -8.09 3 3 0 55 242.109 2

Activity (Go SEA)

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