UCSF

ZINC35768269

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 31 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) 4.18 9.01 -12.74 1 6 0 61 459.978 7
Mid Mid (pH 6-8) 4.18 11.23 -59.99 2 6 1 63 460.986 7

Activity (Go SEA)

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