UCSF

ZINC36769567

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 1.78 7.11 -55.83 0 5 -1 70 268.333 3
Lo Low (pH 4.5-6) 1.78 4.43 -10.9 1 5 0 67 269.341 3

Activity (Go SEA)

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