UCSF

ZINC34684087

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 29 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) 2.86 9.67 -40.04 2 5 1 50 390.507 7
Mid Mid (pH 6-8) 2.86 9.67 -42.61 2 5 1 50 390.507 7
Mid Mid (pH 6-8) 2.86 7.4 -9.64 1 5 0 49 389.499 7

Activity (Go SEA)

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