UCSF

ZINC70016197

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2011 23 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) 0.01 -0.23 -12.92 1 7 0 83 318.377 3
Lo Low (pH 4.5-6) 0.01 2 -55.33 2 7 1 84 319.385 3

Activity (Go SEA)

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