UCSF

ZINC78651428

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2012 27 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) 2.83 9.43 -16.04 1 6 0 67 360.417 5
Mid Mid (pH 6-8) 2.83 9.89 -41.49 2 6 1 69 361.425 5
Lo Low (pH 4.5-6) 2.83 10.36 -80.24 3 6 2 70 362.433 5

Activity (Go SEA)

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