UCSF

ZINC34685598

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) 4.29 11.64 -21.51 0 7 0 62 507.675 9
Mid Mid (pH 6-8) 4.29 13.94 -58.58 1 7 1 64 508.683 9

Activity (Go SEA)

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