UCSF

ZINC36326943

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 12 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) 0.84 1.14 -39.59 2 3 1 29 173.28 4
Lo Low (pH 4.5-6) 0.84 3.3 -109.81 3 3 2 30 174.288 4

Activity (Go SEA)

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