UCSF

ZINC03957916

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 16 Yes

Other Names:

MFCD06653692

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) 1.34 3.22 -42.3 0 5 -1 72 221.188 2
Mid Mid (pH 6-8) 1.35 2.21 -15.33 1 5 0 69 222.196 2
Mid Mid (pH 6-8) 1.34 2.47 -12.35 1 5 0 69 222.196 2

Activity (Go SEA)

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