UCSF

ZINC36882732

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) 0.60 4.14 -46.35 3 4 1 49 279.404 6
Hi High (pH 8-9.5) 0.60 3.72 -4.14 2 4 0 48 278.396 6
Lo Low (pH 4.5-6) 0.60 6.07 -135.18 4 4 2 51 280.412 6

Activity (Go SEA)

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