UCSF

ZINC21313751

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 25 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) 3.05 5.97 -16.13 1 6 0 70 362.451 6
Hi High (pH 8-9.5) 3.05 4.98 -41.91 0 6 -1 72 361.443 6

Activity (Go SEA)

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