UCSF

ZINC10511970

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2007 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) 3.97 -2.45 -51.02 1 8 -1 113 436.506 10
Hi High (pH 8-9.5) 3.97 -2.01 -126.15 0 8 -2 116 435.498 10

Activity (Go SEA)

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