UCSF

ZINC36884036

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 15 Yes

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) 0.23 4.36 -114.11 4 3 2 45 207.321 5
Mid Mid (pH 6-8) 0.23 3.17 -95.69 4 3 2 45 207.321 5
Mid Mid (pH 6-8) 0.23 3.96 -29.25 3 3 1 43 206.313 5
Mid Mid (pH 6-8) 0.23 2.53 -38.18 3 3 1 44 206.313 5

Activity (Go SEA)

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