UCSF

ZINC01027251

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 17 Yes

Other Names:

MFCD01305364

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) 4.30 2.15 -4.66 0 1 0 12 225.335 2
Lo Low (pH 4.5-6) 4.30 2.21 -28.5 1 1 1 14 226.343 2

Activity (Go SEA)

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