UCSF

ZINC34964039

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 2.88 7.1 -6.8 2 3 0 44 215.3 3
Mid Mid (pH 6-8) 2.88 7.27 -29.52 3 3 1 45 216.308 3

Activity (Go SEA)

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