UCSF

ZINC03651083

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 23 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) 3.16 7.49 -46.53 2 4 1 44 314.405 5
Mid Mid (pH 6-8) 3.16 6.23 -8.14 1 4 0 40 313.397 5

Activity (Go SEA)

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