UCSF

ZINC01268614

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 22 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) 3.93 7.89 -17.1 1 4 0 51 316.357 4
Hi High (pH 8-9.5) 4.00 6.99 -44.53 0 4 -1 58 315.349 4

Activity (Go SEA)

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