UCSF

ZINC35188958

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 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) -0.60 -3.95 -12.23 2 7 0 94 307.397 4
Mid Mid (pH 6-8) -0.14 -6.11 -42.74 1 7 -1 97 306.389 4
Lo Low (pH 4.5-6) -0.60 -1.65 -46.94 3 7 1 95 308.405 4

Activity (Go SEA)

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