UCSF

ZINC34692447

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 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) 4.63 13.29 -54.45 2 6 1 63 496.647 8
Hi High (pH 8-9.5) 4.82 10.76 -48.18 1 6 0 69 495.639 8

Activity (Go SEA)

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