UCSF

ZINC36732204

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 18 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) 0.69 2.6 -109.75 4 4 2 45 257.422 7
Hi High (pH 8-9.5) 0.69 2.22 -35.17 3 4 1 43 256.414 7
Mid Mid (pH 6-8) 0.69 0.91 -43.86 3 4 1 43 256.414 7
Lo Low (pH 4.5-6) 0.69 4.88 -197.28 5 4 3 46 258.43 7
Lo Low (pH 4.5-6) 0.69 3.18 -96.76 4 4 2 45 257.422 7

Activity (Go SEA)

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