UCSF

ZINC26265331

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 25 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) 2.87 7.87 -35.64 2 6 1 62 335.435 4
Mid Mid (pH 6-8) 2.87 7.48 -13.15 1 6 0 61 334.427 4
Mid Mid (pH 6-8) 2.87 9.72 -51.19 2 6 1 62 335.435 4
Lo Low (pH 4.5-6) 2.87 10.18 -112.17 3 6 2 63 336.443 4

Activity (Go SEA)

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