UCSF

ZINC36731169

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 16 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) 0.84 1.78 -48.93 4 4 1 68 223.296 5
Hi High (pH 8-9.5) 0.84 2.55 -80.03 3 4 0 71 222.288 5

Activity (Go SEA)

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