UCSF

ZINC34891623

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 32 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) 3.60 5.93 -57.17 1 9 -1 117 450.5 8
Mid Mid (pH 6-8) 3.60 6.18 -18.68 2 9 0 115 451.508 8

Activity (Go SEA)

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