UCSF

ZINC34961946

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 25 Yes

CAS Number: 90906-41-5

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) 4.77 12.73 -46.29 1 3 -1 60 343.487 14
Lo Low (pH 4.5-6) 4.77 10.75 -7.35 2 3 0 58 344.495 14

Activity (Go SEA)

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