UCSF

ZINC12410332

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2008 18 No

Other Names:

MFCD03838367

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) 1.40 9.25 -34.6 1 3 1 25 245.346 2
Hi High (pH 8-9.5) 1.40 7.28 -4.88 0 3 0 24 244.338 2
Mid Mid (pH 6-8) 1.40 9.19 -34.98 1 3 1 25 245.346 2
Mid Mid (pH 6-8) 1.40 9.12 -35.8 1 3 1 25 245.346 2
Lo Low (pH 4.5-6) 1.40 9.23 -105.24 2 3 0 26 246.354 2

Activity (Go SEA)

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