UCSF

ZINC00803873

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 26 Yes

Other Names:

MFCD02950374

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) 3.60 6.73 -12.72 3 5 0 81 360.442 3
Lo Low (pH 4.5-6) 3.60 7.08 -39.53 4 5 1 82 361.45 3

Activity (Go SEA)

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