UCSF

ZINC00337042

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Other Names:

MFCD02182360

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) 0.89 3.43 -17.32 2 4 0 61 203.245 3
Mid Mid (pH 6-8) 1.20 1.93 -28.86 3 4 1 63 204.253 3
Mid Mid (pH 6-8) 0.89 3.83 -32.16 3 4 1 62 204.253 3

Activity (Go SEA)

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