UCSF

ZINC34681538

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 32 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.59 10.37 -13.9 1 8 0 94 435.459 6
Mid Mid (pH 6-8) 3.59 12.6 -61.27 2 8 1 95 436.467 6
Lo Low (pH 4.5-6) 3.59 12.92 -124.87 3 8 2 97 437.475 6
Lo Low (pH 4.5-6) 3.59 10.7 -43.62 2 8 1 96 436.467 6

Activity (Go SEA)

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