UCSF

ZINC25952542

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 19 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) 0.98 1.53 -10.5 2 5 0 62 276.365 1
Mid Mid (pH 6-8) 0.98 3.89 -43.7 3 5 1 64 277.373 1
Lo Low (pH 4.5-6) 0.98 4.32 -87.99 4 5 2 65 278.381 1

Activity (Go SEA)

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