UCSF

ZINC00680138

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 28 Yes

Other Names:

MFCD05740382

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) 3.85 8.97 -14.06 1 6 0 70 380.444 8
Lo Low (pH 4.5-6) 3.85 9.39 -45.03 2 6 1 71 381.452 8

Activity (Go SEA)

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