UCSF

ZINC19888972

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 27 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) 4.11 12.9 -91.95 2 3 2 12 385.983 5
Hi High (pH 8-9.5) 4.11 8.11 -3.4 0 3 0 10 383.967 5
Mid Mid (pH 6-8) 4.11 10.59 -41.67 1 3 1 11 384.975 5
Mid Mid (pH 6-8) 4.11 12.82 -112.09 2 3 2 12 385.983 5

Activity (Go SEA)

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