UCSF

ZINC36296726

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 18 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) -0.28 -0.86 -55.88 4 6 1 98 292.406 3
Mid Mid (pH 6-8) 0.17 -2.99 -77.66 3 6 0 101 291.398 3

Activity (Go SEA)

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