UCSF

ZINC33816982

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.48 4.93 -38.11 2 4 0 66 228.251 3
Hi High (pH 8-9.5) 1.48 4.47 -51.05 1 4 -1 65 227.243 3
Mid Mid (pH 6-8) 1.48 3.47 -9.73 2 4 0 62 228.251 3

Activity (Go SEA)

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