UCSF

ZINC00844809

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 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) 3.13 13.14 -11.53 1 9 0 93 384.44 5
Mid Mid (pH 6-8) 3.13 13.58 -35.33 2 9 1 94 385.448 5

Activity (Go SEA)

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