UCSF

ZINC44220576

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 20 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) 4.11 10.06 -49.44 0 3 -1 49 267.304 5
Mid Mid (pH 6-8) 4.11 8.07 -7.94 1 3 0 47 268.312 5

Activity (Go SEA)

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