UCSF

ZINC37038108

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -1.51 0.18 -46.54 3 5 1 54 243.375 5
Lo Low (pH 4.5-6) -1.51 2.09 -106.04 4 5 2 56 244.383 5

Activity (Go SEA)

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