UCSF

ZINC36932770

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 18 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) 1.10 4.48 -104.68 3 4 2 34 257.422 5
Mid Mid (pH 6-8) 1.10 2.25 -38.65 2 4 1 32 256.414 5
Mid Mid (pH 6-8) 1.10 5.71 -84.15 3 4 2 30 257.422 5

Activity (Go SEA)

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