UCSF

ZINC42581779

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 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) 1.78 7.53 -123.78 4 3 2 41 292.467 5
Mid Mid (pH 6-8) 1.78 7.09 -34.26 3 3 1 40 291.459 5
Mid Mid (pH 6-8) 1.78 5.75 -42.24 3 3 1 40 291.459 5

Activity (Go SEA)

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