UCSF

ZINC29010453

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 22 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) 1.02 4.16 -55.94 1 6 -1 103 330.357 6
Lo Low (pH 4.5-6) 1.02 2.18 -19.17 2 6 0 101 331.365 6

Activity (Go SEA)

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