UCSF

ZINC34676567

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 25 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) 2.98 11.72 -88.15 3 6 2 53 346.523 3
Hi High (pH 8-9.5) 2.98 9.73 -99.92 3 6 2 53 346.523 3
Mid Mid (pH 6-8) 2.98 9.56 -46.18 2 6 1 52 345.515 3
Lo Low (pH 4.5-6) 2.98 11.9 -175.95 4 6 3 55 347.531 3

Activity (Go SEA)

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