UCSF

ZINC34685644

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 37 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) 4.93 13.43 -20.04 0 6 0 53 507.65 8
Mid Mid (pH 6-8) 4.93 15.67 -58.64 1 6 1 54 508.658 8

Activity (Go SEA)

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