UCSF

ZINC06753222

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 31 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) 4.09 7.48 -15.45 2 7 0 88 421.497 8
Hi High (pH 8-9.5) 4.09 8.41 -42.34 1 7 -1 91 420.489 8

Activity (Go SEA)

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