UCSF

ZINC52541968

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 19 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) 3.53 8.25 -36.08 2 2 1 20 281.489 8
Hi High (pH 8-9.5) 3.53 9.4 -28.29 2 2 1 16 281.489 8
Hi High (pH 8-9.5) 3.53 7.65 -0.96 1 2 0 15 280.481 8
Mid Mid (pH 6-8) 3.53 9.83 -109.32 3 2 2 21 282.497 8

Activity (Go SEA)

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