UCSF

ZINC36867664

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) 0.75 1.04 -5.45 3 6 0 91 212.253 4
Hi High (pH 8-9.5) 1.21 -0.63 -37.06 2 6 -1 94 211.245 4

Activity (Go SEA)

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