UCSF

ZINC17300672

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2008 20 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) 0.38 2.05 -7.41 0 5 0 42 282.384 4
Mid Mid (pH 6-8) 0.38 4.29 -43.42 1 5 1 43 283.392 4
Mid Mid (pH 6-8) 0.38 4.24 -36.97 1 5 1 43 283.392 4

Activity (Go SEA)

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