UCSF

ZINC45703101

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 21 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) 1.50 4.78 -10.34 2 6 0 84 309.753 7
Hi High (pH 8-9.5) 1.96 2.21 -41.6 1 6 -1 87 308.745 7
Mid Mid (pH 6-8) 1.50 6.12 -57.92 3 6 1 89 310.761 7
Mid Mid (pH 6-8) 1.96 3.56 -47.18 2 6 0 92 309.753 7

Activity (Go SEA)

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