UCSF

ZINC00025357

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 26 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) 2.65 11.28 -43.01 2 5 1 55 349.458 3
Mid Mid (pH 6-8) 2.65 10.89 -25.11 1 5 0 54 348.45 3

Activity (Go SEA)

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