UCSF

ZINC36135478

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 17 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) 1.31 2.41 -44.04 4 4 1 68 241.355 2
Mid Mid (pH 6-8) 1.31 2.79 -6.06 3 4 0 67 240.347 2

Activity (Go SEA)

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