UCSF

ZINC40072458

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 27 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) 0.84 5.33 -18.29 1 7 0 81 367.405 4
Lo Low (pH 4.5-6) 0.84 5.8 -50.79 2 7 1 82 368.413 4

Activity (Go SEA)

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