UCSF

ZINC36732190

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 18 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) 0.93 2.17 -51.4 4 4 1 60 256.414 7
Hi High (pH 8-9.5) 0.93 3.61 -32.51 4 4 1 60 256.414 7

Activity (Go SEA)

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