UCSF

ZINC37138384

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 0.68 3.81 -48.78 2 4 1 40 266.409 2
Mid Mid (pH 6-8) 0.68 5.24 -39.71 2 4 1 37 266.409 2
Lo Low (pH 4.5-6) 0.68 6.22 -114.65 3 4 2 41 267.417 2

Activity (Go SEA)

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