UCSF

ZINC01502385

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 17 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) 2.43 -0.87 -8.49 1 3 0 42 221.263 2
Mid Mid (pH 6-8) 2.43 -0.92 -6.53 1 3 0 42 221.263 2
Lo Low (pH 4.5-6) 2.43 -0.81 -35.93 2 3 1 43 222.271 2

Activity (Go SEA)

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