UCSF

ZINC36878250

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 Yes

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) 2.00 7.49 -95.28 5 4 2 81 270.38 7
Mid Mid (pH 6-8) 2.00 7.08 -49.84 4 4 1 80 269.372 7

Activity (Go SEA)

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