UCSF

ZINC34686006

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 31 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) 2.12 8.65 -14.8 0 6 0 53 421.541 4
Mid Mid (pH 6-8) 2.12 10.87 -54.81 1 6 1 54 422.549 4

Activity (Go SEA)

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