UCSF

ZINC17138571

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 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) 3.00 4.9 -55.89 1 5 -1 78 387.209 4
Mid Mid (pH 6-8) 3.00 5.02 -10.97 2 5 0 76 388.217 4
Mid Mid (pH 6-8) 2.42 5.31 -11.91 1 5 0 72 388.217 4

Activity (Go SEA)

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