UCSF

ZINC18122030

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 23 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) 2.89 1.98 -14.65 2 7 0 96 311.345 3
Mid Mid (pH 6-8) 2.89 1.96 -9.06 2 7 0 96 311.345 3
Mid Mid (pH 6-8) 2.89 2.93 -17.36 2 7 0 96 311.345 3
Mid Mid (pH 6-8) 1.98 4.99 -19.73 2 7 0 92 311.345 3

Activity (Go SEA)

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