UCSF

ZINC37101553

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 3.84 8.59 -12.62 1 3 0 49 293.757 3
Lo Low (pH 4.5-6) 3.84 8.98 -36.34 2 3 1 50 294.765 3

Activity (Go SEA)

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