UCSF

ZINC36326933

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 15 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) 1.41 2.37 -42.26 3 3 1 40 215.361 7
Mid Mid (pH 6-8) 1.41 4.52 -86.86 4 3 2 41 216.369 7

Activity (Go SEA)

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