UCSF

ZINC13347314

Substance Information

In ZINC since Heavy atoms Benign functionality
June 17th, 2008 32 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) 3.93 11 -41.4 1 7 0 86 447.564 6
Hi High (pH 8-9.5) 3.93 8.79 -46.84 0 7 -1 85 446.556 6
Mid Mid (pH 6-8) 4.11 9.74 -20.99 1 7 0 78 447.564 6

Activity (Go SEA)

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