UCSF

ZINC09312947

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 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) 3.10 8.64 -51.57 0 7 -1 106 416.207 4
Mid Mid (pH 6-8) 3.10 7.61 -13.75 1 7 0 103 417.215 4
Mid Mid (pH 6-8) 2.51 -0.76 -12 0 7 0 100 417.215 4

Activity (Go SEA)

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