UCSF

ZINC34820389

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 36 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) 6.28 13.11 -61.54 1 7 -1 100 496.465 6
Hi High (pH 8-9.5) 6.74 11.95 -118.55 0 7 -2 103 495.457 6

Activity (Go SEA)

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