UCSF

ZINC32008431

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 14 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) 1.75 4.12 -35.21 3 2 1 37 192.282 2
Hi High (pH 8-9.5) 1.75 2.73 -4.32 2 2 0 32 191.274 2

Activity (Go SEA)

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