UCSF

ZINC34617125

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 17 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 6.2 -11.78 1 5 0 73 238.239 6
Mid Mid (pH 6-8) 2.88 7.3 -56.26 0 5 -1 76 237.231 6

Activity (Go SEA)

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