UCSF

ZINC19891447

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 31 Yes

CAS Number: 4976-86-7

Other Names:

MFCD00025879

MFCD03939520

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) 4.31 6.21 -21.84 4 9 0 137 427.457 12

Activity (Go SEA)

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