UCSF

ZINC32110627

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 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) 1.17 2.04 -7.34 2 4 0 54 258.321 6
Mid Mid (pH 6-8) 1.17 3.54 -46.67 3 4 1 59 259.329 6
Lo Low (pH 4.5-6) 1.17 3.92 -121.94 4 4 2 60 260.337 6

Activity (Go SEA)

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