UCSF

ZINC02022070

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 28 Yes

CAS Number: 3235-14-1

Other Names:

MFCD00238405

MFCD00468779

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) 4.43 -0.04 -13.02 2 7 0 93 384.432 10

Activity (Go SEA)

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