UCSF

ZINC36170709

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 1.41 4.94 -95.21 4 3 2 35 269.458 4
Hi High (pH 8-9.5) 1.41 2.44 -2.25 2 3 0 32 267.442 4
Mid Mid (pH 6-8) 1.41 2.71 -43.62 3 3 1 34 268.45 4

Activity (Go SEA)

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