UCSF

ZINC13652429

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 22 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) -0.30 8.4 -21.98 0 8 0 96 306.322 6
Mid Mid (pH 6-8) -0.30 8.89 -55.65 1 8 1 97 307.33 6

Activity (Go SEA)

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