UCSF

ZINC45699680

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) 3.60 9.74 -35.11 1 3 1 25 291.459 8
Hi High (pH 8-9.5) 3.60 7.26 -5.89 0 3 0 24 290.451 8
Hi High (pH 8-9.5) 3.60 9.29 -36.05 1 3 1 25 291.459 8
Lo Low (pH 4.5-6) 3.60 11.77 -109.56 2 3 2 26 292.467 8

Activity (Go SEA)

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