UCSF

ZINC00955090

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 26 No

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) 4.85 10.84 -15.3 1 7 0 97 436.287 5
Mid Mid (pH 6-8) 5.04 8.31 -35.76 0 7 -1 103 435.279 5

Activity (Go SEA)

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