UCSF

ZINC36144150

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 22 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) 1.95 4.36 -45.78 2 4 1 38 307.389 1
Hi High (pH 8-9.5) 1.95 3 -3.79 1 4 0 34 306.381 1
Lo Low (pH 4.5-6) 1.95 6.17 -100.19 3 4 2 40 308.397 1

Activity (Go SEA)

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