UCSF

ZINC39898615

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 6.11 11.95 -40.09 1 7 -1 91 497.015 10
Mid Mid (pH 6-8) 6.11 11.19 -14.36 2 7 0 88 498.023 10
Mid Mid (pH 6-8) 6.11 10.94 -12.02 2 7 0 88 498.023 10

Activity (Go SEA)

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