UCSF

ZINC44684509

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 12 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) 1.28 3.43 -34.17 2 2 1 20 169.292 3
Hi High (pH 8-9.5) 1.28 2.27 -0.95 1 2 0 15 168.284 3
Mid Mid (pH 6-8) 1.28 5.72 -99.7 3 2 2 21 170.3 3
Mid Mid (pH 6-8) 1.28 4.69 -29.73 2 2 1 16 169.292 3

Activity (Go SEA)

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