UCSF

ZINC18042275

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2008 29 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) 2.84 10.13 -71.44 1 6 0 74 394.471 7
Hi High (pH 8-9.5) 2.84 7.61 -58.59 0 6 -1 73 393.463 7

Activity (Go SEA)

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