UCSF

ZINC35738369

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 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) -1.56 0.46 -95.64 5 4 2 65 173.26 1
Hi High (pH 8-9.5) -1.56 0.14 -44.75 4 4 1 63 172.252 1

Activity (Go SEA)

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