UCSF

ZINC34318476

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 26 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) 1.95 7.06 -16.2 2 6 0 82 394.88 7
Mid Mid (pH 6-8) 1.95 7.36 -57.3 3 6 1 83 395.888 7

Activity (Go SEA)

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