UCSF

ZINC01916041

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 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) 1.81 0.11 -11.06 1 6 0 72 236.275 4
Mid Mid (pH 6-8) 1.81 0.39 -50.14 2 6 1 73 237.283 4

Activity (Go SEA)

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