UCSF

ZINC37094640

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 3.20 7.62 -131.9 4 3 2 41 288.435 7
Mid Mid (pH 6-8) 3.20 5.55 -48.54 3 3 1 40 287.427 7
Mid Mid (pH 6-8) 3.20 7.16 -32.58 3 3 1 40 287.427 7

Activity (Go SEA)

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