UCSF

ZINC55036280

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 29 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) 4.80 11.71 -53.98 1 5 1 47 397.518 8
Hi High (pH 8-9.5) 4.80 9.49 -10.43 0 5 0 45 396.51 8
Mid Mid (pH 6-8) 4.80 11.37 -58.99 1 5 1 47 397.518 8

Activity (Go SEA)

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