UCSF

ZINC32666457

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2009 21 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) 3.72 7.04 -18.72 1 4 0 60 302.713 3
Hi High (pH 8-9.5) 3.72 7.83 -46.21 0 4 -1 63 301.705 3

Activity (Go SEA)

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