UCSF

ZINC37760399

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2009 16 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) 1.47 4.63 -10.08 1 4 0 53 220.272 1
Hi High (pH 8-9.5) 1.47 3.66 -28.63 1 4 0 58 220.272 1
Mid Mid (pH 6-8) 1.47 5.64 -52.77 0 4 -1 56 219.264 1
Lo Low (pH 4.5-6) 1.47 2.89 -36.07 2 4 1 55 221.28 1

Activity (Go SEA)

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