UCSF

ZINC05784698

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 9 Yes

CAS Number: 2012-29-5

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) 3.81 3.88 -2.76 1 1 0 20 345.905 0
Hi High (pH 8-9.5) 3.81 4.64 -32.67 0 1 -1 23 344.897 0

Activity (Go SEA)

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