UCSF

ZINC36305107

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 16 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) 1.59 3.36 -41.27 3 3 1 40 227.372 3
Hi High (pH 8-9.5) 1.59 2.27 -1.25 2 3 0 38 226.364 3
Mid Mid (pH 6-8) 1.59 4.38 -113.57 4 3 2 41 228.38 3

Activity (Go SEA)

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