UCSF

ZINC34591013

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 28 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) 4.13 12.32 -57.2 2 4 1 54 383.487 5
Mid Mid (pH 6-8) 4.13 10.06 -17.57 1 4 0 53 382.479 5

Activity (Go SEA)

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