UCSF

ZINC61468741

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 20 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) 1.29 6.95 -46.77 1 7 1 80 280.304 3
Mid Mid (pH 6-8) 1.29 4.24 -11.11 0 7 0 79 279.296 3

Activity (Go SEA)

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