UCSF

ZINC36770985

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 0.18 3.49 -128.23 4 4 2 48 264.417 5
Hi High (pH 8-9.5) 0.18 3.52 -36.8 3 4 1 47 263.409 5
Hi High (pH 8-9.5) 0.18 3.86 -110.16 4 4 2 48 264.417 5
Mid Mid (pH 6-8) 0.18 1.64 -44 3 4 1 47 263.409 5
Lo Low (pH 4.5-6) 0.18 4.33 -174.56 5 4 3 49 265.425 5

Activity (Go SEA)

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