UCSF

ZINC36984011

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 1.94 2.16 -44.97 3 3 1 34 280.358 4
Mid Mid (pH 6-8) 1.94 4.28 -107.01 4 3 2 35 281.366 4
Lo Low (pH 4.5-6) 1.94 4.06 -124.66 4 3 2 35 281.366 4

Activity (Go SEA)

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