UCSF

ZINC45651353

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 14 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) -0.08 1.87 -112.98 5 4 2 64 201.314 5
Hi High (pH 8-9.5) -0.08 -1.74 -7.4 3 4 0 58 199.298 5
Mid Mid (pH 6-8) -0.08 0.68 -36.4 4 4 1 60 200.306 5
Lo Low (pH 4.5-6) -0.08 -0.54 -43.62 4 4 1 63 200.306 5

Activity (Go SEA)

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