UCSF

ZINC36987053

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) 2.19 4.8 -108.76 5 5 2 69 292.427 6
Mid Mid (pH 6-8) 2.19 3.15 -37.94 4 5 1 67 291.419 6
Mid Mid (pH 6-8) -0.72 5.81 -31.59 5 5 1 69 291.419 6

Activity (Go SEA)

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