UCSF

ZINC00634324

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 32 No

Other Names:

MFCD03043692

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) 2.32 9.08 -49.85 0 8 -1 105 454.459 6
Mid Mid (pH 6-8) 1.73 1 -18.3 0 8 0 98 455.467 6
Mid Mid (pH 6-8) 2.76 0.79 -28.47 1 8 0 101 455.467 5

Activity (Go SEA)

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