UCSF

ZINC03199133

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 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) 1.72 4.64 -15.68 1 3 0 61 175.187 2
Mid Mid (pH 6-8) 1.72 5.74 -57.49 0 3 -1 64 174.179 2

Activity (Go SEA)

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