UCSF

ZINC15772553

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 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) 5.01 8.9 -8.32 1 3 0 38 420.521 3
Mid Mid (pH 6-8) 5.01 9.34 -30.58 2 3 1 39 421.529 3

Activity (Go SEA)

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