UCSF

ZINC25763680

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 31 No

CAS Number: 549-32-6

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) 0.06 -7.68 -32.46 7 11 0 190 434.353 3
Hi High (pH 8-9.5) 0.06 -6.68 -77.74 6 11 -1 193 433.345 3

Activity (Go SEA)

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