UCSF

ZINC39927816

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2010 19 Yes

CAS Numbers: 887982-06-1 , [887982-06-1]

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) 3.10 7.92 -60.01 0 3 -1 53 266.198 3
Lo Low (pH 4.5-6) 3.10 8.23 -31.73 1 3 0 54 267.206 3

Activity (Go SEA)

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