UCSF

ZINC21486978

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 37 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) 5.08 11.18 -57.96 0 7 -1 82 505.635 10
Mid Mid (pH 6-8) 5.08 13.53 -70.2 1 7 0 83 506.643 10

Activity (Go SEA)

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