UCSF

ZINC06270551

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2006 30 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 7.51 -69.18 1 6 -1 90 436.9 5
Mid Mid (pH 6-8) 4.18 8.08 -46.26 2 6 0 91 437.908 5
Lo Low (pH 4.5-6) 4.18 7.51 -24.93 2 6 0 88 437.908 5

Activity (Go SEA)

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