UCSF

ZINC33813325

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 35 No

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) 2.83 9.68 -64.46 2 9 0 116 483.565 11
Hi High (pH 8-9.5) 2.83 8.89 -56.32 1 9 -1 115 482.557 11
Lo Low (pH 4.5-6) 2.83 10.14 -53.96 3 9 1 113 484.573 11

Activity (Go SEA)

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