UCSF

ZINC37151755

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 19 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) 3.34 5.99 -4.58 2 2 0 32 253.345 3
Mid Mid (pH 6-8) 3.34 7.01 -45.64 3 2 1 37 254.353 3

Activity (Go SEA)

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