UCSF

ZINC34928631

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.84 7.6 -38.51 3 5 0 85 312.156 2
Hi High (pH 8-9.5) 0.84 6.53 -51.32 2 5 -1 81 311.148 2
Hi High (pH 8-9.5) 0.84 6.55 -45.91 2 5 -1 81 311.148 2
Mid Mid (pH 6-8) 0.84 7.6 -31.5 3 5 0 85 312.156 2
Lo Low (pH 4.5-6) 0.84 8.07 -81.02 4 5 1 87 313.164 2

Activity (Go SEA)

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