UCSF

ZINC42410643

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 17 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) 0.59 4.54 -43.66 2 4 1 56 302.123 3
Hi High (pH 8-9.5) 0.59 3.11 -5.56 1 4 0 51 301.115 3

Activity (Go SEA)

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