UCSF

ZINC37857400

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 34 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) 3.88 8.52 -14.7 0 7 0 70 459.498 6
Mid Mid (pH 6-8) 3.88 11.39 -59.82 1 7 1 72 460.506 6

Activity (Go SEA)

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