UCSF

ZINC36851631

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) 0.23 4.96 -54.17 2 5 1 67 262.333 4
Mid Mid (pH 6-8) 0.23 3.93 -9.11 1 5 0 62 261.325 4
Lo Low (pH 4.5-6) 0.23 4.39 -37.97 2 5 1 64 262.333 4

Activity (Go SEA)

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