UCSF

ZINC49329640

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 13 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) -1.08 2 -83.35 4 4 2 50 184.287 5
Hi High (pH 8-9.5) -1.08 1.52 -49.21 3 4 1 49 183.279 5
Lo Low (pH 4.5-6) -1.08 4.3 -187.22 5 4 3 51 185.295 5

Activity (Go SEA)

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