UCSF

ZINC12447524

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 38 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) 6.18 15.62 -10.92 0 5 0 59 498.582 4
Mid Mid (pH 6-8) 6.18 13.11 -10.46 0 5 0 59 498.582 4
Lo Low (pH 4.5-6) 6.18 15.53 -33.11 1 5 1 61 499.59 4

Activity (Go SEA)

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