UCSF

ZINC26509411

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 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 -0.89 -50.69 4 4 1 54 254.329 4
Hi High (pH 8-9.5) 0.21 -1.27 -7.4 3 4 0 53 253.321 4
Mid Mid (pH 6-8) 0.21 1.52 -108.08 5 4 2 56 255.337 4

Activity (Go SEA)

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