UCSF

ZINC13813268

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 15 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) 0.40 3.61 -9.21 2 4 0 69 207.229 5
Mid Mid (pH 6-8) 0.40 3.95 -46.42 3 4 1 71 208.237 5

Activity (Go SEA)

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