UCSF

ZINC59463104

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2011 20 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) 1.13 9.74 -51.3 0 5 -1 67 271.296 5
Mid Mid (pH 6-8) 1.13 10.25 -70.63 1 5 0 68 272.304 5

Activity (Go SEA)

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