UCSF

ZINC09138235

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2007 23 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 12.26 -13.93 0 4 0 43 302.381 2
Mid Mid (pH 6-8) 3.63 12.73 -26.47 1 4 1 44 303.389 2

Activity (Go SEA)

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