UCSF

ZINC08744511

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 24 No

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) 2.02 3.4 -46.71 1 6 -1 91 322.344 2
Ref Reference (pH 7) 2.02 3.64 -46.38 1 6 -1 91 322.344 2
Mid Mid (pH 6-8) 2.02 3.5 -46.52 1 6 -1 91 322.344 2
Mid Mid (pH 6-8) 2.02 3.5 -46.96 1 6 -1 91 322.344 2
Lo Low (pH 4.5-6) 1.56 6.1 -9.06 2 6 0 88 323.352 2

Activity (Go SEA)

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