UCSF

ZINC35385475

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) -1.04 3.56 -34.21 2 4 0 66 173.212 4
Hi High (pH 8-9.5) -1.04 2.15 -45.68 1 4 -1 61 172.204 4

Activity (Go SEA)

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