UCSF

ZINC27730018

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 33 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) 3.39 9.87 -58.18 3 7 1 75 451.591 8
Mid Mid (pH 6-8) 3.39 7.57 -16.89 2 7 0 74 450.583 8

Activity (Go SEA)

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