UCSF

ZINC34983280

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) 3.05 4.18 -4.07 2 2 0 28 238.693 0
Mid Mid (pH 6-8) 3.05 5.57 -48.93 3 2 1 32 239.701 0

Activity (Go SEA)

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