UCSF

ZINC41655095

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 2.58 6.64 -45.82 0 4 -1 62 242.254 3
Mid Mid (pH 6-8) 2.58 7.01 -35.54 1 4 0 63 243.262 3

Activity (Go SEA)

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