UCSF

ZINC34944018

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 34 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) 4.63 10.35 -55.49 0 6 -1 73 502.418 7
Mid Mid (pH 6-8) 4.63 12.61 -71.19 1 6 0 74 503.426 7
Lo Low (pH 4.5-6) 4.63 11.73 -48.35 2 6 1 71 504.434 7

Activity (Go SEA)

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