UCSF

ZINC36754440

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 18 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) -0.76 3.86 -47.3 5 7 1 99 252.346 3
Mid Mid (pH 6-8) -0.76 5.77 -34.65 5 7 1 98 252.346 3
Lo Low (pH 4.5-6) -0.76 4.19 -83.76 6 7 2 100 253.354 3
Lo Low (pH 4.5-6) -0.76 4.31 -84.81 6 7 2 100 253.354 3

Activity (Go SEA)

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