UCSF

ZINC04411688

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2005 23 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) 3.37 6.28 -13.99 1 5 0 68 328.393 4
Hi High (pH 8-9.5) 3.37 6.17 -54.24 0 5 -1 70 327.385 4
Mid Mid (pH 6-8) 3.55 6.64 -19.01 1 5 0 72 328.393 3

Activity (Go SEA)

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