UCSF

ZINC19607272

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 16 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) 3.06 7 -42.59 1 2 1 8 262.204 5
Hi High (pH 8-9.5) 3.06 4.49 -2.97 0 2 0 6 261.196 5
Mid Mid (pH 6-8) 3.06 7.13 -38.78 1 2 1 8 262.204 5
Lo Low (pH 4.5-6) 3.06 9.3 -117.84 2 2 2 9 263.212 5

Activity (Go SEA)

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