UCSF

ZINC37435637

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) -2.26 3.43 -63.53 1 7 -1 106 264.261 2
Mid Mid (pH 6-8) -1.80 1.5 -141.25 0 7 -2 109 263.253 2

Activity (Go SEA)

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