UCSF

ZINC23351422

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 25 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) 2.56 8.44 -45.93 2 6 1 63 343.451 7
Mid Mid (pH 6-8) 2.56 6.16 -10.61 1 6 0 62 342.443 7
Mid Mid (pH 6-8) 2.56 8.35 -46.83 2 6 1 63 343.451 7

Activity (Go SEA)

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