UCSF

ZINC29975562

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2009 33 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) 3.52 12.13 -51.68 2 7 1 64 446.575 9
Hi High (pH 8-9.5) 3.52 9.9 -15.94 1 7 0 63 445.567 9
Mid Mid (pH 6-8) 3.52 12.15 -46.61 2 7 1 64 446.575 9

Activity (Go SEA)

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