UCSF

ZINC36999096

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.18 5.09 -100.77 5 4 2 61 257.422 6
Hi High (pH 8-9.5) 1.36 2.97 -49.84 4 4 1 67 256.414 6
Hi High (pH 8-9.5) 1.18 4.79 -39.28 4 4 1 60 256.414 6
Hi High (pH 8-9.5) 1.36 2.66 -24.77 3 4 0 66 255.406 6

Activity (Go SEA)

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