UCSF

ZINC37428661

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 20 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) 3.48 7.43 -10.99 2 4 0 53 308.168 3
Mid Mid (pH 6-8) 3.48 7.88 -25.7 3 4 1 54 309.176 3

Activity (Go SEA)

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