UCSF

ZINC19731968

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 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) 1.61 4.9 -36.35 3 4 1 43 264.393 6
Hi High (pH 8-9.5) 1.61 2.59 -5.87 2 4 0 42 263.385 6
Mid Mid (pH 6-8) 1.61 4.9 -38.82 3 4 1 43 264.393 6

Activity (Go SEA)

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