UCSF

ZINC42102543

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 2.60 5.9 -58.53 0 4 -1 62 230.243 2
Mid Mid (pH 6-8) 2.60 6.29 -56.2 1 4 0 63 231.251 2

Activity (Go SEA)

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