UCSF

ZINC37453650

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) 2.49 7.04 -50.11 1 5 -1 82 266.317 9
Lo Low (pH 4.5-6) 2.49 5.06 -12.14 2 5 0 80 267.325 9

Activity (Go SEA)

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