UCSF

ZINC00520662

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 23 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) 3.13 11.47 -13.3 0 5 0 52 304.353 3
Mid Mid (pH 6-8) 3.13 12.39 -46.18 2 5 1 56 305.361 3
Lo Low (pH 4.5-6) 3.13 11.8 -34.91 1 5 1 54 305.361 3

Activity (Go SEA)

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