UCSF

ZINC75241095

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2012 26 Yes

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) 6.55 13.45 -49.85 1 4 -1 69 366.566 15
Lo Low (pH 4.5-6) 6.55 11.47 -11.49 2 4 0 66 367.574 15

Activity (Go SEA)

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