UCSF

ZINC35501693

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 21 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) 2.27 2.81 -7.39 2 4 0 50 310.222 4
Mid Mid (pH 6-8) 2.27 3.59 -47.49 3 4 1 55 311.23 4

Activity (Go SEA)

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