UCSF

ZINC25142200

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 32 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) 6.53 15.4 -25.21 1 5 1 43 445.974 5
Mid Mid (pH 6-8) 6.53 15.41 -25.01 1 5 1 43 445.974 5
Mid Mid (pH 6-8) 6.53 15.07 -8.18 0 5 0 41 444.966 5

Activity (Go SEA)

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