UCSF

ZINC08926806

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 34 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) 3.99 11.47 -60.42 0 6 -1 79 460.481 8
Mid Mid (pH 6-8) 4.44 10.06 -30.94 1 6 0 76 461.489 7
Mid Mid (pH 6-8) 3.41 11.08 -24.03 0 6 0 73 461.489 8

Activity (Go SEA)

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