UCSF

ZINC40709762

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 23 Yes

CAS Numbers: 229614-55-5 , 330600-85-6

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) -0.10 4.2 -58.08 7 8 0 153 328.413 8
Ref Reference (pH 7) 0.42 2.37 -57.84 7 8 0 157 328.413 8

Activity (Go SEA)

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