UCSF

ZINC06144602

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2006 30 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) 2.27 6.95 -20.4 1 7 0 89 425.51 7
Mid Mid (pH 6-8) 2.27 7 -64.95 0 7 -1 91 424.502 7
Lo Low (pH 4.5-6) 2.27 7.42 -48.91 2 7 1 90 426.518 7

Activity (Go SEA)

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