UCSF

ZINC09263911

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 29 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) 1.53 6.56 -20.01 2 8 0 101 436.538 7
Mid Mid (pH 6-8) 1.53 6.88 -19.52 2 8 0 101 436.538 7

Activity (Go SEA)

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