UCSF

ZINC40477044

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 18 Yes

Other Names:

MFCD17987604

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) 4.14 6.48 -46.34 3 2 1 37 283.178 4
Hi High (pH 8-9.5) 4.14 5.1 -5.13 2 2 0 32 282.17 4

Activity (Go SEA)

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