UCSF

ZINC33639811

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2009 17 No

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) 1.43 1.27 -11.08 2 4 0 61 235.283 3
Hi High (pH 8-9.5) 1.43 2.18 -48.61 1 4 -1 64 234.275 3
Mid Mid (pH 6-8) 1.43 4.39 -66.35 2 4 0 65 235.283 3

Activity (Go SEA)

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