UCSF

ZINC27525423

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 26 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) 1.00 5.45 -103.96 3 6 0 93 367.327 3
Lo Low (pH 4.5-6) -2.59 4.59 -91.25 4 6 1 96 368.335 2

Activity (Go SEA)

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