UCSF

ZINC44836231

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 21 Yes

Other Names:

MFCD18173534

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) 4.86 4.69 -5.09 2 3 0 41 362.145 5
Hi High (pH 8-9.5) 4.86 5.45 -34.74 1 3 -1 44 361.137 5

Activity (Go SEA)

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