UCSF

ZINC35111998

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 21 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) 2.53 1.16 -7.54 1 5 0 61 418.14 4
Lo Low (pH 4.5-6) 2.53 3.46 -41.05 2 5 1 62 419.148 4

Activity (Go SEA)

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