UCSF

ZINC25443457

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 30 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) 4.44 11.97 -59.56 3 5 1 63 428.622 8
Hi High (pH 8-9.5) 4.44 10.31 -15.95 2 5 0 61 427.614 8

Activity (Go SEA)

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