UCSF

ZINC11938426

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2008 31 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) 2.90 -2.53 -18.91 2 6 0 78 418.541 8
Lo Low (pH 4.5-6) 2.90 -2.42 -51.65 3 6 1 79 419.549 8

Activity (Go SEA)

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