UCSF

ZINC37017177

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.90 8.42 -43.2 2 4 1 47 267.303 4
Mid Mid (pH 6-8) 1.90 7.51 -11.68 1 4 0 43 266.295 4

Activity (Go SEA)

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