UCSF

ZINC36983924

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 1.49 4.04 -55.82 0 6 -1 81 311.383 5
Mid Mid (pH 6-8) 1.49 6.26 -90.04 1 6 0 82 312.391 5

Activity (Go SEA)

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