UCSF

ZINC30639233

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2009 27 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) 4.00 9.82 -61.78 3 5 0 63 366.485 7
Mid Mid (pH 6-8) 4.00 9.55 -19.86 2 5 0 61 365.477 7

Activity (Go SEA)

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