UCSF

ZINC19864001

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 31 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) 4.61 13.59 -22.93 1 5 0 67 415.489 5
Hi High (pH 8-9.5) 4.61 11.26 -53.66 0 5 -1 66 414.481 5
Mid Mid (pH 6-8) 4.61 10.64 -15.26 1 5 0 63 415.489 5

Activity (Go SEA)

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