UCSF

ZINC37837388

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 2.23 9.12 -53.06 0 5 -1 70 274.296 3
Lo Low (pH 4.5-6) 2.23 7.13 -11.89 1 5 0 67 275.304 3

Activity (Go SEA)

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