UCSF

ZINC36732529

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 14 No

Other Names:

MFCD11166500

MFCD16661095

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) 2.28 5.67 -30.93 3 3 1 43 214.358 6
Hi High (pH 8-9.5) 2.28 3.19 -4.99 2 3 0 42 213.35 6

Activity (Go SEA)

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