UCSF

ZINC45050727

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2010 20 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) 0.80 5.71 -13.09 1 5 0 59 266.304 3
Lo Low (pH 4.5-6) 0.80 6.22 -30.67 2 5 1 61 267.312 3
Lo Low (pH 4.5-6) 0.80 6.62 -79.85 3 5 2 62 268.32 3
Lo Low (pH 4.5-6) 0.80 6.12 -36.43 2 5 1 61 267.312 3

Activity (Go SEA)

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