UCSF

ZINC33780756

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 36 No

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) 4.86 13.57 -42.58 0 7 -1 96 484.528 10
Lo Low (pH 4.5-6) 4.86 12.45 -22.62 1 7 0 93 485.536 10

Activity (Go SEA)

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