UCSF

ZINC34686218

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 34 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) 1.49 7.7 -18.14 0 7 0 62 473.52 7
Mid Mid (pH 6-8) 1.49 9.96 -58.36 1 7 1 64 474.528 7

Activity (Go SEA)

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