UCSF

ZINC44688359

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 2.84 8.83 -20.4 2 6 0 74 366.465 5
Lo Low (pH 4.5-6) 2.84 9.29 -46.81 3 6 1 76 367.473 5

Activity (Go SEA)

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