UCSF

ZINC00674575

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 28 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) 3.79 8.57 -23.61 4 6 0 75 379.484 6
Mid Mid (pH 6-8) 3.79 8.47 -10.58 3 6 0 73 378.476 6

Activity (Go SEA)

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