UCSF

ZINC44834084

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 21 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) 0.34 -1.35 -11.02 1 7 0 81 311.363 5
Mid Mid (pH 6-8) 0.34 0.93 -43.28 2 7 1 82 312.371 5

Activity (Go SEA)

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