UCSF

ZINC36765597

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 0.62 5.81 -42.73 1 4 0 48 212.293 5
Hi High (pH 8-9.5) 0.62 3.53 -42.93 0 4 -1 47 211.285 5
Hi High (pH 8-9.5) 0.62 5.79 -59.47 1 4 0 48 212.293 5
Lo Low (pH 4.5-6) 0.62 8.08 -104.95 2 4 1 49 213.301 5

Activity (Go SEA)

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