UCSF

ZINC02721401

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 24 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) 4.16 -1.11 -14.97 1 4 0 46 341.842 6
Mid Mid (pH 6-8) 0.75 -0.95 -37.53 2 4 1 48 342.85 6

Activity (Go SEA)

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