UCSF

ZINC31771200

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 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) 2.53 3.82 -7.86 2 4 0 51 285.343 5
Mid Mid (pH 6-8) 2.53 5.04 -48.42 3 4 1 55 286.351 5

Activity (Go SEA)

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