UCSF

ZINC15839653

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2008 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) 2.81 8.74 -15.42 1 5 0 60 362.429 7
Lo Low (pH 4.5-6) 2.81 9.03 -46.24 2 5 1 62 363.437 7

Activity (Go SEA)

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