UCSF

ZINC19852970

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 27 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) 1.70 9.17 -43.49 2 6 1 63 368.505 7
Lo Low (pH 4.5-6) 1.70 9.6 -85.32 3 6 2 64 369.513 7

Activity (Go SEA)

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