UCSF

ZINC00703779

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 19 Yes

Other Names:

MFCD04189029

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) 2.72 3.98 -12.3 1 5 0 75 362.636 2
Mid Mid (pH 6-8) 2.54 3.54 -39.93 0 5 -1 74 361.628 3

Activity (Go SEA)

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