UCSF

ZINC36984013

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 2.80 3.71 -46.06 3 3 1 34 310.428 8
Mid Mid (pH 6-8) 2.80 5.55 -118.71 4 3 2 35 311.436 8
Mid Mid (pH 6-8) 2.80 5.87 -105.3 4 3 2 35 311.436 8

Activity (Go SEA)

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