UCSF

ZINC00281397

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 No

Other Names:

MFCD05739201

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) -2.29 -1.36 -30.52 0 2 1 3 203.309 2
Mid Mid (pH 6-8) -2.29 1.98 -105.16 1 2 2 4 204.317 2

Activity (Go SEA)

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