UCSF

ZINC34872199

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 29 No

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) 5.31 10.11 -11.21 0 6 0 64 393.487 9
Ref Reference (pH 7) 5.31 10.21 -11.81 0 6 0 64 393.487 9
Mid Mid (pH 6-8) 5.31 12.59 -46.51 1 6 1 65 394.495 9

Activity (Go SEA)

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