UCSF

ZINC00222264

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 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) 3.71 12.46 -13.14 0 4 0 43 306.344 2
Mid Mid (pH 6-8) 3.71 13.82 -46.88 2 4 1 47 307.352 2
Lo Low (pH 4.5-6) 3.71 12.79 -37.26 1 4 1 45 307.352 2

Activity (Go SEA)

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