UCSF

ZINC13799387

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 29 No

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) 3.76 7.78 -57.61 0 6 -1 88 393.325 3
Ref Reference (pH 7) 3.76 7.64 -57.96 0 6 -1 88 393.325 3
Lo Low (pH 4.5-6) 3.30 10.33 -15.69 1 6 0 85 394.333 3

Activity (Go SEA)

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