UCSF

ZINC13692860

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 31 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) 2.13 0.81 -25.5 1 10 0 128 470.525 7
Hi High (pH 8-9.5) 2.13 0.88 -69.49 0 10 -1 130 469.517 7

Activity (Go SEA)

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