UCSF

ZINC20360159

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.12 4.48 -49.85 3 8 1 96 388.473 4
Hi High (pH 8-9.5) 1.12 2.52 -25.29 2 8 0 98 387.465 4
Mid Mid (pH 6-8) 1.12 4.59 -65.64 2 8 0 98 387.465 4

Activity (Go SEA)

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