UCSF

ZINC36778169

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 Yes

Other Names:

MFCD12530968

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) 0.64 5.9 -50.35 0 5 -1 71 230.247 3
Lo Low (pH 4.5-6) 0.64 6.36 -67.88 1 5 0 72 231.255 3

Activity (Go SEA)

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