UCSF

ZINC36301413

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 15 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) 0.95 4.48 -83.12 3 3 2 24 215.385 6
Hi High (pH 8-9.5) 0.95 2.32 -37.42 2 3 1 23 214.377 6

Activity (Go SEA)

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