UCSF

ZINC42901475

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) 3.12 8 -107.45 4 2 2 32 282.431 4
Hi High (pH 8-9.5) 3.12 7.67 -30.86 3 2 1 30 281.423 4
Mid Mid (pH 6-8) 3.12 6.2 -38.13 3 2 1 31 281.423 4

Activity (Go SEA)

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