UCSF

ZINC19864056

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 18 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) -0.21 0.72 -41.74 3 6 1 69 252.342 5
Hi High (pH 8-9.5) -0.21 -0.84 -8.53 2 6 0 65 251.334 5
Mid Mid (pH 6-8) -0.21 3.06 -107.66 4 6 2 70 253.35 5

Activity (Go SEA)

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