UCSF

ZINC37080957

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 1.40 9.54 -116.55 4 2 2 32 268.404 5
Hi High (pH 8-9.5) 1.40 6.01 -41.16 3 2 1 31 267.396 5
Hi High (pH 8-9.5) 1.40 6.61 -2.61 2 2 0 29 266.388 5
Mid Mid (pH 6-8) 1.40 9.19 -33.02 3 2 1 30 267.396 5

Activity (Go SEA)

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