UCSF

ZINC00440275

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 16 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) 3.13 5.4 -35.17 0 3 -1 40 228.662 1
Hi High (pH 8-9.5) 3.13 6.25 -32.46 2 3 1 43 230.678 1
Mid Mid (pH 6-8) 3.13 5.83 -7.95 1 3 0 42 229.67 1

Activity (Go SEA)

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