UCSF

ZINC12384978

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 21 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) 2.62 8.22 -34.25 1 3 1 21 288.459 3
Mid Mid (pH 6-8) 2.62 8.95 -79.14 2 3 2 22 289.467 3
Lo Low (pH 4.5-6) 2.62 10.59 -190.44 3 3 3 23 290.475 3

Activity (Go SEA)

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