UCSF

ZINC60512760

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2011 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) -0.57 2.23 -45.13 1 5 1 37 228.316 2
Mid Mid (pH 6-8) -0.57 -0.12 -8.29 0 5 0 36 227.308 2
Lo Low (pH 4.5-6) -0.57 4.43 -95.68 2 5 2 38 229.324 2

Activity (Go SEA)

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