UCSF

ZINC06344732

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2006 30 Yes

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) 5.22 12.36 -16.63 1 5 0 68 414.486 7
Hi High (pH 8-9.5) 5.40 10.03 -49.21 0 5 -1 75 413.478 7

Activity (Go SEA)

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