UCSF

ZINC37259048

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 17 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) 2.86 7.29 -42.98 1 4 -1 65 253.709 4
Lo Low (pH 4.5-6) 2.86 7.65 -37.44 2 4 0 66 254.717 4

Activity (Go SEA)

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