UCSF

ZINC28530588

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2009 20 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) 3.03 9.2 -33.23 1 3 1 33 268.336 5
Mid Mid (pH 6-8) 3.03 7.09 -5.61 0 3 0 29 267.328 5

Activity (Go SEA)

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