UCSF

ZINC36619068

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 30 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) 2.30 2.94 -16.26 1 8 0 90 410.474 6
Mid Mid (pH 6-8) 2.30 5.34 -59.88 2 8 1 91 411.482 6

Activity (Go SEA)

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