UCSF

ZINC02243634

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2004 21 Yes

Other Names:

MFCD01311640

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) 4.43 11.86 -51.28 0 3 -1 57 283.347 8
Lo Low (pH 4.5-6) 4.43 9.88 -12.78 1 3 0 54 284.355 8

Activity (Go SEA)

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