UCSF

ZINC33678992

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 4.18 9.97 -19.55 1 8 0 74 502.615 10
Mid Mid (pH 6-8) 4.18 12.3 -55.03 2 8 1 76 503.623 10

Activity (Go SEA)

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