UCSF

ZINC33540692

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2009 35 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) 4.62 9.99 -58.3 0 8 -1 105 487.513 8
Lo Low (pH 4.5-6) 4.62 9.17 -16.49 1 8 0 102 488.521 8

Activity (Go SEA)

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