UCSF

ZINC36777384

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) -0.26 3.83 -41.21 3 4 1 53 272.372 6
Hi High (pH 8-9.5) -0.26 3.19 -6.78 2 4 0 51 271.364 6
Mid Mid (pH 6-8) -0.26 4.52 -102.63 4 4 2 54 273.38 6
Lo Low (pH 4.5-6) -0.26 5.85 -127.9 4 4 2 54 273.38 6

Activity (Go SEA)

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