UCSF

ZINC49900471

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2010 19 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) 3.00 9.19 -108.63 3 3 2 36 265.445 5
Hi High (pH 8-9.5) 3.00 7.91 -4.81 1 3 0 30 263.429 5
Mid Mid (pH 6-8) 3.00 8.63 -39.35 2 3 1 34 264.437 5

Activity (Go SEA)

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