UCSF

ZINC19487404

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 13 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) 3.25 4.14 -4.93 1 1 0 12 274.105 4
Lo Low (pH 4.5-6) 3.25 5.55 -48.95 2 1 1 17 275.113 4

Activity (Go SEA)

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