UCSF

ZINC35346120

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 21 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) 2.91 7.23 -42.59 2 5 1 61 359.24 6
Mid Mid (pH 6-8) 2.91 6.01 -10.04 1 5 0 57 358.232 6

Activity (Go SEA)

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