UCSF

ZINC36886772

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 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) 3.63 10.95 -11.59 0 3 0 42 265.291 1
Mid Mid (pH 6-8) 3.63 11.43 -39.04 1 3 1 43 266.299 1

Activity (Go SEA)

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