UCSF

ZINC15015628

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 21 No

Other Names:

MFCD01920106

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) 4.28 7.46 -8.44 1 4 0 58 360.236 2
Ref Reference (pH 7) 4.28 7.88 -8.55 1 4 0 58 360.236 2
Hi High (pH 8-9.5) 4.74 5.46 -47.44 0 4 -1 61 359.228 2
Hi High (pH 8-9.5) 4.74 6.14 -46.09 0 4 -1 61 359.228 2
Lo Low (pH 4.5-6) 4.28 7.34 -37.19 2 4 1 59 361.244 2

Activity (Go SEA)

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