UCSF

ZINC42462425

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 13 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) 0.51 2.29 -43.84 0 4 -1 53 186.231 3
Mid Mid (pH 6-8) 0.51 4.4 -41.94 1 4 0 54 187.239 3

Activity (Go SEA)

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