UCSF

ZINC37150094

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 3.08 8.87 -40.25 2 3 1 40 272.416 6
Mid Mid (pH 6-8) 3.09 7.83 -49.07 2 3 1 44 272.416 6

Activity (Go SEA)

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