UCSF

ZINC36360606

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 23 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) 2.65 6.24 -10.44 1 5 0 60 325.393 3
Ref Reference (pH 7) 2.46 8.92 -10.65 1 5 0 56 325.393 3
Mid Mid (pH 6-8) 2.46 9.38 -43.01 2 5 1 57 326.401 3

Activity (Go SEA)

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