UCSF

ZINC36301341

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 18 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) 0.81 4.8 -45.41 2 4 1 40 256.414 7
Lo Low (pH 4.5-6) 0.81 7.08 -107.42 3 4 2 41 257.422 7

Activity (Go SEA)

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