UCSF

ZINC36769477

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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) 2.80 4.12 -43.13 3 3 1 40 243.415 8
Lo Low (pH 4.5-6) 2.80 6.43 -121.12 4 3 2 41 244.423 8

Activity (Go SEA)

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