UCSF

ZINC43983043

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 18 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) 1.89 3.76 -38.23 2 3 1 29 267.315 6
Mid Mid (pH 6-8) 1.89 5.57 -113.08 3 3 2 30 268.323 6
Mid Mid (pH 6-8) 1.89 4.7 -34.62 2 3 1 26 267.315 6

Activity (Go SEA)

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