UCSF

ZINC00017964

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 19 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) 1.85 1.28 -10.17 0 6 0 61 264.329 2
Mid Mid (pH 6-8) -2.50 1.47 -39.5 1 6 1 63 265.337 2

Activity (Go SEA)

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