UCSF

ZINC13632697

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 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) 4.52 8.97 -23 2 7 0 102 438.505 8
Hi High (pH 8-9.5) 4.52 9.02 -67.34 1 7 -1 104 437.497 8

Activity (Go SEA)

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