UCSF

ZINC41669174

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.85 7.84 -18.93 0 8 0 80 489.524 7
Lo Low (pH 4.5-6) 3.85 10.7 -66.32 1 8 1 81 490.532 7

Activity (Go SEA)

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