UCSF

ZINC39762431

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 31 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) 4.85 13.6 -49.46 2 5 1 59 429.569 9
Hi High (pH 8-9.5) 4.85 11.53 -15.04 1 5 0 58 428.561 9
Mid Mid (pH 6-8) 5.03 12.61 -52.61 1 5 0 66 428.561 9

Activity (Go SEA)

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