UCSF

ZINC15932028

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 27 No

Other Names:

MFCD03864055

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) 5.30 9.62 -52.86 1 6 -1 95 381.433 5
Lo Low (pH 4.5-6) 4.81 9.13 -108.48 0 6 -2 93 380.425 6

Activity (Go SEA)

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