UCSF

ZINC00000176

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 Yes

CAS Number: 3611-72-1

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) 4.10 -0.46 -7.07 1 2 0 33 258.704 2

Activity (Go SEA)

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