UCSF

ZINC11935480

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2008 30 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) 2.08 -3.29 -16.06 2 8 0 97 414.506 8
Mid Mid (pH 6-8) 2.08 -2.37 -15.41 2 8 0 97 414.506 8

Activity (Go SEA)

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