UCSF

ZINC32107818

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 18 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) 0.05 1.15 -41.77 3 5 1 65 254.306 6
Hi High (pH 8-9.5) 0.05 -0.26 -7.63 2 5 0 60 253.298 6

Activity (Go SEA)

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