UCSF

ZINC34628820

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 15 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) 1.98 5.86 -35.05 2 2 1 16 223.365 2
Hi High (pH 8-9.5) 1.98 3.64 -2.59 1 2 0 15 222.357 2
Mid Mid (pH 6-8) 1.98 4.88 -35.32 2 2 1 20 223.365 2
Mid Mid (pH 6-8) 1.98 7.11 -118.64 3 2 2 21 224.373 2

Activity (Go SEA)

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