UCSF

ZINC15205604

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2008 13 Yes

CAS Numbers: 10016-20-3 , 17465-86-0 , 7585-39-9 , 9005-25-8 , 9063-38-1

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) -1.07 -4.66 -8.64 3 5 0 79 192.211 2

Activity (Go SEA)

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