UCSF

ZINC36864488

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 1.63 4.68 -34.65 3 4 1 45 253.414 7
Hi High (pH 8-9.5) 1.63 2.45 -4.98 2 4 0 44 252.406 7
Mid Mid (pH 6-8) 1.63 4.13 -43.14 3 4 1 49 253.414 7
Mid Mid (pH 6-8) 1.63 6.03 -116.7 4 4 2 50 254.422 7

Activity (Go SEA)

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