UCSF

ZINC35501440

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 19 Yes

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) 5.12 10.09 -43.38 2 1 1 17 313.273 3
Mid Mid (pH 6-8) 5.12 8.9 -3.67 1 1 0 12 312.265 3

Activity (Go SEA)

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