UCSF

ZINC28770595

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 24 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) 0.49 1.16 -13.81 2 7 0 94 336.319 5
Hi High (pH 8-9.5) 0.95 -0.66 -49.01 1 7 -1 97 335.311 5

Activity (Go SEA)

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