UCSF

ZINC37842070

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) 1.11 5.28 -14.73 1 4 0 39 267.332 2
Lo Low (pH 4.5-6) 1.11 7.52 -49.21 2 4 1 41 268.34 2

Activity (Go SEA)

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