UCSF

ZINC06143934

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2006 32 No

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) 3.42 10.6 -62.41 0 6 -1 83 427.48 7
Mid Mid (pH 6-8) 3.87 -0.19 -30.56 1 6 0 79 428.488 6
Mid Mid (pH 6-8) 2.84 0.09 -23.69 0 6 0 76 428.488 7
Lo Low (pH 4.5-6) 3.87 -0.08 -55.24 2 6 1 80 429.496 6
Lo Low (pH 4.5-6) 2.84 0.21 -59.24 1 6 1 77 429.496 7

Activity (Go SEA)

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