UCSF

ZINC16729395

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 35 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) 4.50 12.61 -34.73 0 7 -1 100 497.499 7
Mid Mid (pH 6-8) 4.95 11.2 -31.49 1 7 0 97 498.507 6
Mid Mid (pH 6-8) 3.92 12.22 -23.27 0 7 0 94 498.507 7

Activity (Go SEA)

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