UCSF

ZINC42471260

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 2.18 7.67 -124.62 4 2 2 32 254.443 7
Mid Mid (pH 6-8) 2.18 7.29 -30.31 3 2 1 30 253.435 7
Mid Mid (pH 6-8) 2.18 6.12 -41.58 3 2 1 31 253.435 7

Activity (Go SEA)

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