UCSF

ZINC70505770

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 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) 3.51 10.46 -32.37 3 3 1 43 302.467 6
Mid Mid (pH 6-8) 3.51 9.79 -8.68 2 3 0 42 301.459 6

Activity (Go SEA)

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