UCSF

ZINC32957358

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2009 26 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) 4.75 10.34 -19.05 2 5 0 71 386.908 7
Hi High (pH 8-9.5) 4.75 10.19 -42.21 1 5 -1 69 385.9 7

Activity (Go SEA)

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