UCSF

ZINC34678392

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 33 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) 1.59 7.91 -51.81 1 8 1 70 447.563 6
Mid Mid (pH 6-8) 1.59 7.87 -48.65 1 8 1 70 447.563 6
Mid Mid (pH 6-8) 1.59 5.63 -10.57 0 8 0 69 446.555 6
Lo Low (pH 4.5-6) 1.59 8.38 -100.2 2 8 2 71 448.571 6

Activity (Go SEA)

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