UCSF

ZINC40081463

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 28 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) 3.01 9.04 -46.94 2 5 1 46 382.528 8
Mid Mid (pH 6-8) 3.01 10.98 -129.45 3 5 2 47 383.536 8
Mid Mid (pH 6-8) 3.01 6.66 -11.21 1 5 0 45 381.52 8

Activity (Go SEA)

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