UCSF

ZINC36322214

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 16 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) 1.04 2.38 -49.9 3 4 1 53 222.312 3
Hi High (pH 8-9.5) 1.04 1.98 -4.81 2 4 0 51 221.304 3
Mid Mid (pH 6-8) 1.04 2.85 -109.49 4 4 2 54 223.32 3

Activity (Go SEA)

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