UCSF

ZINC08837029

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 36 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) 3.15 8.65 -54.43 0 10 -1 128 494.524 10
Mid Mid (pH 6-8) 3.15 10.99 -75.17 1 10 0 129 495.532 10

Activity (Go SEA)

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