UCSF

ZINC37110054

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 3.35 8.3 -127.5 4 2 2 32 266.473 5
Hi High (pH 8-9.5) 3.35 8.02 -34.26 3 2 1 30 265.465 5
Hi High (pH 8-9.5) 3.35 6.74 -41.22 3 2 1 31 265.465 5

Activity (Go SEA)

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