UCSF

ZINC43066732

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 27 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) 0.62 5.87 -193.02 7 10 3 149 382.489 14
Hi High (pH 8-9.5) 0.62 5.49 -114.03 6 10 2 147 381.481 14
Hi High (pH 8-9.5) 0.62 4.53 -104.58 6 10 2 144 381.481 14

Activity (Go SEA)

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