UCSF

ZINC33247512

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2009 29 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) 4.20 6.97 -46.65 0 7 -1 93 505.288 4
Lo Low (pH 4.5-6) 3.74 8.74 -13.1 1 7 0 90 506.296 4

Activity (Go SEA)

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