UCSF

ZINC36170701

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) 1.14 5.59 -46.84 0 5 -1 64 279.36 3
Mid Mid (pH 6-8) 1.14 7.94 -47.93 1 5 0 65 280.368 3
Lo Low (pH 4.5-6) 1.14 6.01 -36.68 2 5 1 62 281.376 3

Activity (Go SEA)

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