UCSF

ZINC37095903

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.86 4.19 -25.97 3 3 1 34 256.458 6
Hi High (pH 8-9.5) 1.86 4.78 -32.04 3 3 1 34 256.458 6
Mid Mid (pH 6-8) 1.86 6.18 -90.16 4 3 2 35 257.466 6
Mid Mid (pH 6-8) 1.86 4.12 -116.27 4 3 2 35 257.466 6

Activity (Go SEA)

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