UCSF

ZINC09123339

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 33 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) 2.72 6.6 -59.18 0 8 -1 95 453.515 10
Mid Mid (pH 6-8) 3.16 9.24 -49.61 2 8 1 94 455.531 9
Mid Mid (pH 6-8) 2.72 8.93 -80.48 1 8 0 96 454.523 10

Activity (Go SEA)

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