UCSF

ZINC41718862

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 20 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) 2.41 7.58 -43.78 1 5 0 76 266.256 3
Mid Mid (pH 6-8) 2.41 7.17 -54.44 0 5 -1 75 265.248 3

Activity (Go SEA)

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