UCSF

ZINC44836153

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 22 Yes

Other Names:

MFCD18173510

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) 4.71 5.45 -6.35 2 4 0 51 366.255 7
Hi High (pH 8-9.5) 4.71 6.2 -42.72 1 4 -1 54 365.247 7

Activity (Go SEA)

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