UCSF

ZINC05822986

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 26 No

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) 1.24 2.51 -15.93 3 8 0 124 370.39 5
Hi High (pH 8-9.5) 1.70 0.04 -94.84 1 8 -2 129 368.374 5
Mid Mid (pH 6-8) 1.70 -0.26 -49.05 2 8 -1 127 369.382 5
Mid Mid (pH 6-8) 1.24 2.81 -52.72 2 8 -1 126 369.382 5

Activity (Go SEA)

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