UCSF

ZINC19938467

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 32 No

Other Names:

MFCD04448735

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) 1.66 4.95 -60.02 0 8 -1 91 455.512 6
Mid Mid (pH 6-8) 1.66 7.29 -76.6 1 8 0 93 456.52 6

Activity (Go SEA)

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