UCSF

ZINC37112720

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.90 3.92 -27.34 3 3 1 34 256.458 6
Hi High (pH 8-9.5) 1.90 4.72 -32.34 3 3 1 34 256.458 6
Mid Mid (pH 6-8) 1.90 6.32 -88.12 4 3 2 35 257.466 6
Mid Mid (pH 6-8) 1.90 4.18 -111.7 4 3 2 35 257.466 6

Activity (Go SEA)

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