UCSF

ZINC32604984

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 23 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) 1.93 7.65 -51.55 2 5 0 86 323.739 2
Hi High (pH 8-9.5) 3.23 7.24 -49.93 1 5 -1 89 322.731 2

Activity (Go SEA)

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