UCSF

ZINC61878110

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2011 27 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) 4.64 7.25 -14.17 2 6 0 87 377.425 3
Mid Mid (pH 6-8) 5.10 5.45 -53.11 1 6 -1 91 376.417 3
Lo Low (pH 4.5-6) 0.41 7.89 -34.94 3 6 1 86 378.433 4

Activity (Go SEA)

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