UCSF

ZINC36874756

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.46 4.38 -47.53 3 4 1 49 279.404 5
Hi High (pH 8-9.5) 0.46 3.95 -4.25 2 4 0 48 278.396 5
Lo Low (pH 4.5-6) 0.46 5.97 -135.43 4 4 2 51 280.412 5

Activity (Go SEA)

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